Crystallography Open Database

Information card for entry 7133388

Preview

Coordinates	7133388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H237 K25 Mn11 Nb62 O330 Te15
Calculated formula	H42 K25 Mn11 Nb62 O305 Te15
Title of publication	A water-soluble mixed-valent {Mn<sub>11</sub>} cluster embedded heteropolyoxoniobate with magnetic properties.
Authors of publication	Wu, Ping-Xin; Chen, Chun-Xia; Sun, Yan-Qiong; Zheng, Shou-Tian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	67
Pages of publication	8888 - 8891
a	22.62 ± 0.003 Å
b	24.412 ± 0.003 Å
c	38.496 ± 0.005 Å
α	98.666 ± 0.002°
β	100.99 ± 0.002°
γ	112.911 ± 0.002°
Cell volume	18617 ± 4 Å³
Cell temperature	175 K
Ambient diffraction temperature	175 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	0.1461
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.2195
Weighted residual factors for all reflections included in the refinement	0.2696
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
294459 (current)	2024-09-06	cif/ Updating files of 7133388 Original log message: Adding full bibliography for 7133388.cif.	7133388.cif
293528	2024-07-25	cif/ Adding structures of 7133388 via cif-deposit CGI script.	7133388.cif