Crystallography Open Database

Information card for entry 7024976

Preview

Coordinates	7024976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H45 Cd2 N5 O14 S
Calculated formula	C41 H37 Cd2 N5 O14 S
Title of publication	Regiocontrolled [2 + 2] photodimerization of Cd(II) metal complexes in both solution and solid state.
Authors of publication	Miao, Xiao-He; Zhu, Long-Guan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	6
Pages of publication	1457 - 1459
a	14.9668 ± 0.0009 Å
b	13.8195 ± 0.0008 Å
c	23.7408 ± 0.0015 Å
α	90°
β	107.965 ± 0.001°
γ	90°
Cell volume	4671 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0944
Weighted residual factors for significantly intense reflections	0.193
Weighted residual factors for all reflections included in the refinement	0.1968
Goodness-of-fit parameter for all reflections included in the refinement	1.299
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
179954 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/49.	7024976.cif
92773	2014-01-12	cif/ Adding structures of 7024975, 7024976 via cif-deposit CGI script.	7024976.cif