Crystallography Open Database

Information card for entry 4513438

Preview

Coordinates	4513438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H29 Co N6 O30 Zn3
Calculated formula	C45 H29 Co N6 O30 Zn3
Title of publication	Three-Dimensional Heterometallic Coordination Networks: Syntheses, Crystal Structures, Topologies, and Heterogeneous Catalysis
Authors of publication	Srivastava, Sumit; Aggarwal, Himanshu; Gupta, Rajeev
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	8
Pages of publication	4110
a	15.029 ± 0.0004 Å
b	19.2206 ± 0.0006 Å
c	21.3862 ± 0.0011 Å
α	90°
β	118.363 ± 0.003°
γ	90°
Cell volume	5436.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0462
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4513438.cif
154549	2015-09-05	cif/ Updating files of 4513435, 4513436, 4513437, 4513438 Original log message: Adding full bibliography for 4513435--4513438.cif.	4513438.cif
152405	2015-07-23	cif/ Adding structures of 4513438 via cif-deposit CGI script.	4513438.cif