Crystallography Open Database

Information card for entry 4319672

4319671 << 4319672 >> 4319673

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Coordinates	4319672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H106 Li2 N8 O4 P4 Se2
Calculated formula	C48 H106 Li2 N8 O4 P4 Se2
Title of publication	Preparation and X-ray Structures of Alkali-Metal Derivatives of the Ambidentate Anions [tBuN(E)P(μ-NtBu)2P(E)NtBu]2- (E = S, Se) and [tBuN(Se)P(μ-NtBu)2PN(H)tBu)]-
Authors of publication	Tristram Chivers; Mark Krahn; Masood Parvez; Gabriele Schatte
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2547 - 2553
a	20.901 ± 0.002 Å
b	10.1486 ± 0.0009 Å
c	30.341 ± 0.003 Å
α	90°
β	95.4216 ± 0.0018°
γ	90°
Cell volume	6407 ± 1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1179
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179276 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/96.	4319672.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319672.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319672.cif
16473	2011-03-24	../uploads/cif-deposit/cod/cif Adding structures of 4319672 via cif-deposit CGI script.	4319672.cif