Crystallography Open Database

Information card for entry 4502951

Preview

Coordinates	4502951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H20 Cd F6 N2 O4
Calculated formula	C33 H20 Cd F6 N2 O4
Title of publication	Effect of Carboxylate Coligands with Different Rigidity on Supramolecular Architectures Based on One Rigid Didentate Linear Ligand
Authors of publication	Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	403
a	8.6902 ± 0.0016 Å
b	13.818 ± 0.003 Å
c	15.034 ± 0.003 Å
α	87.335 ± 0.004°
β	78.874 ± 0.004°
γ	87.676 ± 0.004°
Cell volume	1768.5 ± 0.6 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	0.0782
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	4502951.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502951.cif
37802	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502949, 4502950, 4502951, 4502952, 4502953, 4502954 via cif-deposit CGI script.	4502951.cif