Crystallography Open Database

Information card for entry 8105028

Preview

Coordinates	8105028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H46 N4 O22 P2 Zn2
Calculated formula	C56 H46 N4 O22 P2 Zn2
Title of publication	The crystal structure of diaqua-bis(μ2-3-((3-acetyl-5-carboxyphenyl)oxidophosphoryl)-5-carboxybenzoato-κ2O:O′)bis(5,5′-dimethyl-2,2′-bipyridine-k2N,N′)zinc(II), C56H46N4O22P2Zn2
Authors of publication	Li, Yesheng; Chen, Huating; Chen, Han; Hu, Xingen; Xiao, Hongping
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	95 - 97
a	9.6537 ± 0.0004 Å
b	31.1374 ± 0.0011 Å
c	9.8927 ± 0.0004 Å
α	90°
β	112.709 ± 0.002°
γ	90°
Cell volume	2743.13 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.035
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274340 (current)	2022-04-05	cif/ Adding structures of 8105028 via cif-deposit CGI script.	8105028.cif