Crystallography Open Database

Information card for entry 4500104

Preview

Coordinates	4500104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H88 N2 S17 Zn8
Calculated formula	C106 H83 N2 S17 Zn8
Title of publication	Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters
Authors of publication	Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	1
Pages of publication	16
a	60.797 ± 0.016 Å
b	19.604 ± 0.005 Å
c	18.548 ± 0.005 Å
α	90°
β	102.58 ± 0.005°
γ	90°
Cell volume	21576 ± 10 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1144
Residual factor for significantly intense reflections	0.0968
Weighted residual factors for significantly intense reflections	0.1835
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	1.266
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
179532 (current)	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 4/50/01.	4500104.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500104.cif
34398	2012-02-25	cif/4/50/ Moving all 45001??.cif files to subdirectory 01/ where they belong.	4500104.cif
34345	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500102, 4500103, 4500104, 4500105, 4500106, 4500107 via cif-deposit CGI script.	4500104.cif