Crystallography Open Database

Information card for entry 7111991

7111990 << 7111991 >> 7111992

Preview

Coordinates	7111991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H134 N12 O184 Pd6 Se6 W39
Calculated formula	N10 O176.2 Pd6 Se6 W39
Title of publication	Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles
Authors of publication	Jamie M. Cameron; Jing Gao; Laia Vila-Nadal; De-Liang Long; Leroy Cronin
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2155
a	30.1962 ± 0.0006 Å
b	35.7662 ± 0.0006 Å
c	21.6486 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	23380.6 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0958
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1799
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7111991.cif
180233	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/19.	7111991.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7111991.cif
103202	2014-02-27	cif/ Adding structures of 7111990, 7111991, 7111992, 7111993, 7111994 via cif-deposit CGI script.	7111991.cif