Crystallography Open Database

Information card for entry 7210800

Preview

Coordinates	7210800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H64 Cd2 Cl2 Cu4 N14 O16
Calculated formula	C72 H64 Cd2 Cl2 Cu4 N14 O16
Title of publication	Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network
Authors of publication	Das, Lakshmi Kanta; Ghosh, Ashutosh
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9444
a	8.89 ± 0.005 Å
b	13.226 ± 0.005 Å
c	17.248 ± 0.005 Å
α	101.448 ± 0.005°
β	98.822 ± 0.005°
γ	107.349 ± 0.005°
Cell volume	1847.6 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1187
Residual factor for significantly intense reflections	0.1133
Weighted residual factors for significantly intense reflections	0.3239
Weighted residual factors for all reflections included in the refinement	0.3255
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180439 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/08.	7210800.cif
90127	2013-11-17	cif/ Adding structures of 7210799, 7210800, 7210801, 7210802 via cif-deposit CGI script.	7210800.cif