Crystallography Open Database

Information card for entry 4317797

Preview

Coordinates	4317797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 Au B Cl4 N9 O4
Calculated formula	C22 H25 Au B Cl4 N9 O4
Title of publication	Synthesis of Tris- and Tetrakis(pyrazol-1-yl)borate Gold(III) Complexes. Crystal Structures of [Au{κ2-N,N'-BH(Pz)3}Cl2] (pz = Pyrazol-1-yl) and [Au{κ2-N,N'-B(Pz)4}(κ2-C,N-C6H4CH2NMe2-2)]ClO4.CHCl3
Authors of publication	José Vicente; María Teresa Chicote; Rita Guerrero; Ulrich Herber; Delia Bautista
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1870 - 1875
a	8.5602 ± 0.0009 Å
b	16.1203 ± 0.0018 Å
c	21.792 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3007.1 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
179257 (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 4/31/77.	4317797.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317797.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317797.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4317797.cif
14078	2011-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4317797 via cif-deposit CGI script.	4317797.cif