Crystallography Open Database

Information card for entry 4319922

4319921 << 4319922 >> 4319923

Preview

Coordinates	4319922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C129 H118 B2 Cu6 F8 N4 O3 P8 Se4
Calculated formula	C129 H118 B2 Cu6 F8 N4 O3 P8 Se4
Title of publication	Syntheses, Photophysics, and Photochemistry of Trinuclear Copper(I) Thiolate and Hexanuclear Copper(I) Selenolate Complexes: X-ray Crystal Structures of [Cu6(μ-dppm)4(μ3-SePh)4](BF4)2 and [Cu6{μ-(Ph2P)2NH}4(μ3-SePh)4](BF4)2
Authors of publication	Vivian Wing-Wah Yam; Chi-Ho Lam; Wendy Kit-Mai Fung; Kung-Kai Cheung
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3435 - 3442
a	17.718 ± 0.003 Å
b	15.838 ± 0.003 Å
c	25.509 ± 0.003 Å
α	90°
β	99.2 ± 0.02°
γ	90°
Cell volume	7066 ± 2 Å³
Cell temperature	301.2 K
Ambient diffraction temperature	301.2 K
Number of distinct elements	9
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.1071
Goodness-of-fit parameter for significantly intense reflections	2.357
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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.	4319922.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319922.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319922.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' ) &	4319922.cif
16727	2011-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4319922 via cif-deposit CGI script.	4319922.cif