Crystallography Open Database

Information card for entry 4319921

4319920 << 4319921 >> 4319922

Preview

Coordinates	4319921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H108 B2 Cu6 F8 P8 Se4
Calculated formula	C124 H108 B2 Cu6 F8 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	16.071 ± 0.003 Å
b	16.071 ± 0.003 Å
c	24.844 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6416.6 ± 1.9 Å³
Cell temperature	301.2 K
Ambient diffraction temperature	301.2 K
Number of distinct elements	7
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.0736
Goodness-of-fit parameter for significantly intense reflections	2.5
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.	4319921.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319921.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319921.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' ) &	4319921.cif
16726	2011-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4319921 via cif-deposit CGI script.	4319921.cif