Crystallography Open Database

Information card for entry 4507375

Preview

Coordinates	4507375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H184 Ag8 Cl La N12 Ni6 O61 S12
Calculated formula	C62 H87 Ag8 Cl La N12 Ni6 O30 S12
Title of publication	3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization
Authors of publication	Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	2
Pages of publication	918
a	24.3687 ± 0.0014 Å
b	24.3687 ± 0.0014 Å
c	47.322 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	28101 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
198633 (current)	2017-07-11	cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i \| cif_filter --no-exclude-publication-details -h $i \| sponge $i A total of 700 files were changed.	4507375.cif
179609	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/73.	4507375.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507375.cif
73949	2013-02-21	cif/ Adding structures of 4507375, 4507376, 4507377 via cif-deposit CGI script.	4507375.cif