Crystallography Open Database

Information card for entry 7210801

Preview

Coordinates	7210801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 Cd Cl Cu2 N7 O8
Calculated formula	C36 H32 Cd Cl Cu2 N7 O8
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	8.09 ± 0.005 Å
b	27.992 ± 0.005 Å
c	17.987 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	4073 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
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.	7210801.cif
90127	2013-11-17	cif/ Adding structures of 7210799, 7210800, 7210801, 7210802 via cif-deposit CGI script.	7210801.cif