Crystallography Open Database

Information card for entry 7247331

Preview

Coordinates	7247331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H93 Mn6 N24 O32.5 S8
Calculated formula	C64 H93 Mn6 N24 O32.5 S8
Title of publication	Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties
Authors of publication	Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	39
Pages of publication	5524 - 5532
a	10.6758 ± 0.0013 Å
b	12.4221 ± 0.0015 Å
c	19.041 ± 0.002 Å
α	82.315 ± 0.001°
β	79.293 ± 0.002°
γ	72.475 ± 0.001°
Cell volume	2357.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 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	0.0944
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.2045
Weighted residual factors for all reflections included in the refinement	0.2152
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287341 (current)	2023-11-06	cif/ Updating files of 7247329, 7247330, 7247331 Original log message: Adding full bibliography for 7247329--7247331.cif.	7247331.cif
286208	2023-09-06	cif/ Adding structures of 7247329, 7247330, 7247331 via cif-deposit CGI script.	7247331.cif