Crystallography Open Database

Information card for entry 4505530

Preview

Coordinates	4505530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H54 N8 O18 Zn5
Calculated formula	C76 H54 N8 O18 Zn5
Title of publication	A New 10-Connected Coordination Network with Pentanuclear Zinc Clusters as Secondary Building Units
Authors of publication	He, Kun-Huan; Song, Wei-Chao; Li, Yun-Wu; Chen, Yong-Qiang; Bu, Xian-He
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1064
a	15.309 ± 0.003 Å
b	15.799 ± 0.003 Å
c	16.424 ± 0.003 Å
α	90°
β	117.56 ± 0.03°
γ	90°
Cell volume	3521.7 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0748
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
179590 (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 4/50/55.	4505530.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505530.cif
51788	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505530 via cif-deposit CGI script.	4505530.cif