Crystallography Open Database

Information card for entry 7247329

Preview

Coordinates	7247329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H39 Mn3 N15 O13
Calculated formula	C33 H39 Mn3 N15 O13
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	21.7912 ± 0.0013 Å
b	20.2706 ± 0.0013 Å
c	10.2341 ± 0.0006 Å
α	90°
β	102.939 ± 0.002°
γ	90°
Cell volume	4405.8 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.02 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0898
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1495
Weighted residual factors for all reflections included in the refinement	0.1674
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	7247329.cif
286208	2023-09-06	cif/ Adding structures of 7247329, 7247330, 7247331 via cif-deposit CGI script.	7247329.cif