Crystallography Open Database

Information card for entry 4346707

Preview

Coordinates	4346707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H72 Co2 Mo10 N6 O60
Calculated formula	C48 H42 Co2 Mo10 N6 O60
SMILES	[Mo]123(=O)(=O)[O]45[Mo]67(=O)([O]89[Mo]%10%11(=O)(O[Mo]%128(=O)([O]8%13[Mo]%14(=O)(=O)([O]%152[Mo]2([O]%16[Mo](=O)(=O)([O]%10[Co]498%15%16)(O%11)O2)(=O)(=O)O1)[O]13[Mo]2([O]3[Mo]4(=O)(=O)(O2)O[Mo]2(=O)(=O)([O]4[Co]5%1313[O]6%122)O7)(=O)(=O)O%14)=O)=O)=O.O=C([O-])/C=C/c1cc[nH+]cc1.O=C([O-])/C=C/c1cc[nH+]cc1.O=C([O-])/C=C/c1cc[nH+]cc1.[O-]C(=O)/C=C/c1cc[nH+]cc1.O=C([O-])/C=C/c1cc[nH+]cc1.O=C([O-])/C=C/c1cc[nH+]cc1.O.O.O.O.O.O.O.O.O.O
Title of publication	Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.
Authors of publication	An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	1
Pages of publication	144 - 153
a	10.2725 ± 0.0008 Å
b	14.137 ± 0.0011 Å
c	30.687 ± 0.003 Å
α	97.473 ± 0.005°
β	97.513 ± 0.005°
γ	109.476 ± 0.004°
Cell volume	4092.9 ± 0.6 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 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	0.1315
Residual factor for significantly intense reflections	0.1171
Weighted residual factors for significantly intense reflections	0.2955
Weighted residual factors for all reflections included in the refinement	0.3046
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
231933 (current)	2019-11-23	cif/ Adding structures of 4346707, 4346708, 4346709, 4346710, 4346711, 4346712, 4346713 via cif-deposit CGI script.	4346707.cif