Crystallography Open Database

Information card for entry 4501225

Preview

Coordinates	4501225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H62 Cd4 N6 O26
Calculated formula	C55 H62 Cd4 N6 O26
Title of publication	Designed 4,8-Connected Metal‒Organic Frameworks Based on Tetrapodal Octacarboxylate Ligands
Authors of publication	Lin, Zu-Jin; Liu, Tian-Fu; Zhao, Xiu-Ling; Lü, Jian; Cao, Rong
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	10
Pages of publication	4284
a	18.326 ± 0.004 Å
b	19.033 ± 0.004 Å
c	12.529 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4370.1 ± 1.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
179543 (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 4/50/12.	4501225.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501225.cif
34818	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501223, 4501224, 4501225 via cif-deposit CGI script.	4501225.cif