Crystallography Open Database

Information card for entry 4502468

Preview

Coordinates	4502468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Cd N2 O7
Calculated formula	C26 H22 Cd N2 O7
Title of publication	pH-Dependent Binary Metal−Organic Compounds Assembled from Different Helical Units: Structural Variation and Supramolecular Isomers
Authors of publication	Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Zang, Hong-Ying; Su, Zhong-Min
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	4
Pages of publication	1699
a	11.826 ± 0.0003 Å
b	6.769 ± 0.0005 Å
c	15.883 ± 0.0007 Å
α	90°
β	111.615 ± 0.001°
γ	90°
Cell volume	1182.03 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0664
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71069 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.	4502468.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502468.cif
36432	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502467, 4502468, 4502469, 4502470, 4502471, 4502472 via cif-deposit CGI script.	4502468.cif