Crystallography Open Database

Information card for entry 4322704

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Coordinates	4322704.cif
Structure factors	4322704.hkl
Original paper (by DOI)	HTML

Structure parameters

Chemical name	unknown
Formula	C26 H54 B2 N4 Si4 U
Calculated formula	C26 H54 B2 N4 Si4 U
SMILES	[BH]12[H][U]3456([H]1)([H]2)([N](=C(N3[Si](C)(C)C)c1ccccc1)[Si](C)(C)C)([H][BH]([H]5)[H]6)N(C(=[N]4[Si](C)(C)C)c1ccccc1)[Si](C)(C)C
Title of publication	Syntheses of the Uranium Complexes [U{N(SiMe3)2}2{N(SiMe3)(SiMe2CH2B(C6F5)3)}] and [U{C(Ph)(NSiMe3)2}2{μ3-BH4}2]. Determination of Hydrogen Positions by Single-Crystal X-ray and Neutron Diffraction
Authors of publication	Matthias Müller; V. Cliff Williams; Linda H. Doerrer; Michael A. Leech; Sax A. Mason; Malcolm L. H. Green; Keith Prout
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	1315 - 1323
a	21.613 ± 0.001 Å
b	9.233 ± 0.001 Å
c	18.132 ± 0.001 Å
α	90°
β	98.804 ± 0.002°
γ	90°
Cell volume	3575.7 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0188
Goodness-of-fit parameter for significantly intense reflections	1.0854
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4322704.cif 4322704.hkl
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4322704.cif 4322704.hkl
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322704.cif 4322704.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	4322704.cif 4322704.hkl
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322704.cif 4322704.hkl
34320	2012-02-24	hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory.	4322704.cif 4322704.hkl
32116	2012-02-04	hkl/ Settin the svn:keywords property on the recently deposited .hkl files.	4322704.cif 4322704.hkl
22779	2011-07-19	hkl/4 A few structure factor files from. Inorg. Chem. 1998	4322704.cif 4322704.hkl
21591	2011-06-24	../uploads/cif-deposit/cod/cif Adding structures of 4322704 via cif-deposit CGI script.	4322704.cif