Crystallography Open Database

Information card for entry 8106757

Preview

Coordinates	8106757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 Co N2 O28 S2
Calculated formula	C36 H48 Co N2 O28 S2
Title of publication	Synthesis and crystal structure of trans-tetraqua-bis(2-(((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)ammonio)acetato-κO)cobalt(II) hexahydrate, C36H48CoN2O28S2
Authors of publication	Chen, Hai-Lin; Lai, Hong-Fang; Wei, Lian-Qiang; Jiang, Li-Rong; Su, Yan-Xiang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	1025 - 1027
a	18.2239 ± 0.0013 Å
b	7.1282 ± 0.0006 Å
c	17.855 ± 0.0013 Å
α	90°
β	97.883 ± 0.002°
γ	90°
Cell volume	2297.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1853
Residual factor for significantly intense reflections	0.0906
Weighted residual factors for significantly intense reflections	0.1667
Weighted residual factors for all reflections included in the refinement	0.1998
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
280861 (current)	2023-02-13	cif/ Adding structures of 8106757 via cif-deposit CGI script.	8106757.cif