Crystallography Open Database

Information card for entry 4309338

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Coordinates	4309338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 Cl2 N8 O2 Os2
Calculated formula	C46 H36 Cl2 N8 O2 Os2
SMILES	OC.c1cccc2[n]1[Os]134(Cl)N(c5ccccc5)c5[n]([Os]4(Cl)([n]4c(N3c3ccccc3)cccc4)(N(c3ccccc3)c3[n]1cccc3)N2c1ccccc1)cccc5.OC
Title of publication	Diosmium(III) Compounds Supported by 2-Anilinopyridinate and Novel Alkynyl Derivatives
Authors of publication	Yan-Hui Shi; Wei-Zhong Chen; Kevin D. John; Ryan E. Da Re; Joshua L. Cohn; Guo-Lin Xu; Judith L. Eglin; Alfred P. Sattelberger; Curtis R. Hare; Tong Ren
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5719 - 5727
a	14.8766 ± 0.0015 Å
b	16.2444 ± 0.0017 Å
c	17.6895 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4274.9 ± 0.7 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179131 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/93.	4309338.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309338.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309338.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' ) &	4309338.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309338.cif