Crystallography Open Database

Information card for entry 1557035

Preview

Coordinates	1557035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H58 Cr Mo6 N3 O32
Calculated formula	C12 Cr Mo6 N3 O32
SMILES	[Mo]123([O]4[Mo]5([O]6[Mo]7([O]8[Mo]9([O]%10[Mo]%11([O]%12[Mo]([O]1[Cr]468%10%12)(O2)(O%11)(=O)=O)(O9)(=O)=O)(O7)(=O)=O)(O5)(=O)=O)(O3)(=O)=O)(=O)=O.[NH3+]C(C)(C)C.[NH3+]C(C)(C)C.[NH3+]C(C)(C)C.O.O.O.O.O.O.O.O
Title of publication	Synthesis, Crystal Structure, and Vibrational and Electron Spin Resonance Study of tert-Butylammonium Chromohexamolybdates, [(CH3)3CNH3]n[H(9-n)CrMo6O24].mH2O (n = 2, m = 2; n = 3, m = 8). Effects of Degrees of Protonation and Hydration
Authors of publication	Wery, Ana S. J.; Gutierrez-Zorrilla, Juan M.; Luque, Antonio; Ugalde, Maria; Roman, Pascual; Lezama, Luis; Rojo, Teofilo
Journal of publication	Acta Chemica Scandinavica
Year of publication	1998
Journal volume	52
Pages of publication	1194 - 1201
a	14.421 ± 0.002 Å
b	11.263 ± 0.006 Å
c	28.954 ± 0.003 Å
α	90°
β	99.7 ± 0.01°
γ	90°
Cell volume	4636 ± 3 Å³
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246811 (current)	2020-01-14	cif/ Adding structures of 1557035 via cif-deposit CGI script.	1557035.cif