Crystallography Open Database

Information card for entry 7247407

Preview

Coordinates	7247407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H88 Mo16 N32 Na8 O77
Calculated formula	C16 H40 Mo16 N32 Na8 O53
Title of publication	Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases
Authors of publication	Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	42
Pages of publication	5942 - 5950
a	14.99 ± 0.0002 Å
b	31.7213 ± 0.0004 Å
c	46.9852 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	22341.6 ± 0.5 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287338 (current)	2023-11-06	cif/ Updating files of 7247406, 7247407, 7247408, 7247409 Original log message: Adding full bibliography for 7247406--7247409.cif.	7247407.cif
286358	2023-09-16	cif/ Adding structures of 7247406, 7247407, 7247408, 7247409 via cif-deposit CGI script.	7247407.cif