Crystallography Open Database

Information card for entry 4501335

Preview

Coordinates	4501335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 Cd Cl2 N6 O7
Calculated formula	C29 H25 Cd Cl2 N6 O7
Title of publication	A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties
Authors of publication	Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5540
a	8.8008 ± 0.0004 Å
b	13.2055 ± 0.0007 Å
c	14.7201 ± 0.0008 Å
α	75.022 ± 0.005°
β	84.608 ± 0.004°
γ	81.718 ± 0.004°
Cell volume	1632.51 ± 0.15 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	0.038
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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.	4501335.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501335.cif
34866	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501328, 4501329, 4501330, 4501331, 4501332, 4501333, 4501334, 4501335, 4501336, 4501337, 4501338, 4501339, 4501340 via cif-deposit CGI script.	4501335.cif