Crystallography Open Database

Information card for entry 7701799

Preview

Coordinates	7701799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H54 Cd2 Cl4 N6 O10
Calculated formula	C44 H54 Cd2 Cl4 N6 O10
Title of publication	Five complexes based on a new racemic tetraoxaspiro ligand: correlation of potential coordination preferences with the structure, magnetic properties and luminescence properties.
Authors of publication	Hu, Min-Na; Zhang, Wen-Qian; Liu, Hua; He, Peng-Xiu; Liu, Ping; Wang, Yao-Yu; Li, Jian-Li
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	12
Pages of publication	3862 - 3873
a	11.15 ± 0.003 Å
b	18.158 ± 0.005 Å
c	11.986 ± 0.003 Å
α	90°
β	96.932 ± 0.005°
γ	90°
Cell volume	2409 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1341
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
223360 (current)	2019-11-05	cif/ Adding structures of 7701794, 7701795, 7701796, 7701797, 7701798, 7701799 via cif-deposit CGI script.	7701799.cif