Crystallography Open Database

Information card for entry 4501221

Preview

Coordinates	4501221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H7 Cd Cl F2 N2 O2
Calculated formula	C11 H7 Cd Cl F2 N2 O2
Title of publication	Fluorine-Induced Chiral Coordination Arrays Containing Helical Hydrogen-Bonding Chains of Water or Fluorinated Ligand
Authors of publication	Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Li, Chao; Chen, Qun; Du, Miao
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5171
a	13.0654 ± 0.0006 Å
b	13.0654 ± 0.0006 Å
c	12.3392 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1824.16 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0158
Residual factor for significantly intense reflections	0.0149
Weighted residual factors for significantly intense reflections	0.0367
Weighted residual factors for all reflections included in the refinement	0.0371
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
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.	4501221.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501221.cif
34817	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501220, 4501221, 4501222 via cif-deposit CGI script.	4501221.cif