Crystallography Open Database

Information card for entry 7214554

Preview

Coordinates	7214554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 Cd Cl2 N16 O10
Calculated formula	C48 H44 Cd Cl2 N16 O10
Title of publication	Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation
Authors of publication	Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9457
a	10.6965 ± 0.0005 Å
b	10.9917 ± 0.0005 Å
c	11.8093 ± 0.0005 Å
α	99.715 ± 0.002°
β	98.778 ± 0.002°
γ	92.825 ± 0.002°
Cell volume	1348.49 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0491
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
180476 (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 7/21/45.	7214554.cif
110301	2014-04-18	cif/ Adding structures of 7214553, 7214554, 7214555 via cif-deposit CGI script.	7214554.cif