Crystallography Open Database

Information card for entry 8106985

Preview

Coordinates	8106985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H40 Cl4 N4 O12 Sr2
Calculated formula	C52 H40 Cl4 N4 O12 Sr2
Title of publication	Crystal structure of tetraaquabis(μ2-4-chlorobenzoato-κ2 O:O,O′)bis(4-chlorobenzoato-κO)bis(1,10-phenanthroline-κ2 N,N′)distrontium(II), C52H40Cl4N4O12Sr2
Authors of publication	Hu, Ling-Xia; Zhang, Bi-Song; Qiu, Jing-Ping; Wu, Chang-Sheng; Liu, Zhen-Xiang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	715 - 717
a	8.9531 ± 0.0018 Å
b	9.0657 ± 0.0018 Å
c	16.911 ± 0.003 Å
α	75.56 ± 0.03°
β	81.96 ± 0.03°
γ	73.84 ± 0.03°
Cell volume	1273 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0464
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
282047 (current)	2023-03-24	cif/ Adding structures of 8106985 via cif-deposit CGI script.	8106985.cif