Crystallography Open Database

Information card for entry 8104604

Preview

Coordinates	8104604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Mn Mo N2 O4
Calculated formula	C12 H8 Mn Mo N2 O4
Title of publication	The crystal structure of catena-poly[(1,10-phenanthroline-k2 N,N′)-(μ3-tetraoxidomoybdato(VI)-k3 O:O′:O″)manganese(II)] C12H8N2O4MoMn
Authors of publication	Ze-Hai, Qiu; Zhu-Sen, Zhang; Wu-Hua, Chen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	6
Pages of publication	1347 - 1349
a	8.9812 ± 0.0005 Å
b	6.5212 ± 0.0003 Å
c	10.6167 ± 0.0006 Å
α	90°
β	100.12 ± 0.006°
γ	90°
Cell volume	612.13 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
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
273108 (current)	2022-02-22	cif/ Adding structures of 8104604 via cif-deposit CGI script.	8104604.cif