Crystallography Open Database

Information card for entry 4506009

Preview

Coordinates	4506009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H51 Cd2 Cl N18 O9
Calculated formula	C45 H45 Cd2 Cl N18 O9
Title of publication	Series of Cd(II) Metal‒Organic Frameworks Based on a Flexible Tripodal Ligand and Polycarboxylate Acids: Syntheses, Structures, and Photoluminescent Properties
Authors of publication	Wang, Xianjuan; Liu, Yanhua; Xu, Chunying; Guo, Qianqian; Hou, Hongwei; Fan, Yaoting
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	5
Pages of publication	2435
a	9.6398 ± 0.0019 Å
b	13.065 ± 0.003 Å
c	21.054 ± 0.004 Å
α	102.46 ± 0.03°
β	102.39 ± 0.03°
γ	99.52 ± 0.03°
Cell volume	2465.8 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4506009.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506009.cif
57468	2012-05-18	cif/ Adding structures of 4506006, 4506007, 4506008, 4506009, 4506010 via cif-deposit CGI script.	4506009.cif