Crystallography Open Database

Information card for entry 4503124

Preview

Coordinates	4503124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H80 Cl12 Mn2 N12 Nb6 O10
Calculated formula	C54 H28 Cl12 Mn2 N12 Nb6 O10
Title of publication	Metal‒Ligand Directed Assembly of Layered Cluster-Based Coordination Polymer and Its Solvent-Mediated Structural Transformations
Authors of publication	Zhang, Jian-Jun; Zhao, Yue; Gamboa, Sergio Aarón; Lachgar, Abdessadek
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	1
Pages of publication	172
a	13.381 ± 0.002 Å
b	20.966 ± 0.004 Å
c	13.915 ± 0.002 Å
α	90°
β	91.546 ± 0.003°
γ	90°
Cell volume	3902.4 ± 1.1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
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	0.0869
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	1.206
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
179562 (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 4/50/31.	4503124.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4503124.cif
41366	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503124 via cif-deposit CGI script.	4503124.cif