Crystallography Open Database

Information card for entry 4503122

Preview

Coordinates	4503122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H88 Cl12 Mn4 N20 Nb6 O16
Calculated formula	C102 H88 Cl12 Mn4 N20 Nb6 O16
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	21.822 ± 0.004 Å
b	17.499 ± 0.003 Å
c	29.117 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	11119 ± 4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
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.	4503122.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4503122.cif
41364	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503122 via cif-deposit CGI script.	4503122.cif