Crystallography Open Database

Information card for entry 7225239

Preview

Coordinates	7225239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H70 Co2 N12 O47 Sb8 V14
Calculated formula	C18 H60 Co2 N12 O47 Sb8 V14
SMILES	C1[C@@H](C)[NH2][Co]23([NH2]C[C@@H]([NH2]2)C)([NH2]1)[NH2][C@H](C[NH2]3)C.O=[V]123[O]4[V]56(=O)[O]2[V]27([O]8[V]9%10([O]%11[V]%12%13([O]%14[V]%15%16(=O)[O]%17[V]%18%19([O]%20[V](=O)([O]%19[Sb](O[Sb]%11%17)[O]7%10)([O]5[Sb]5O[Sb]4[O]4[V]7%10([O]1[V]1%11(=O)[O]3[Sb]8O[Sb]([O]9%12)[O]%11[V]3(=O)([O]%101)[O]%13[V]1%14(=O)[O]%16[Sb]8[O]9[V]%20([O]%15%18)([O]5[V]49(=O)[O]7[Sb](O8)[O]31)=O)=O)[O]62)=O)=O)=O)=O.O.O.O.C1[C@H](C)[NH2][Co]23([NH2]1)([NH2]C[C@@H](C)[NH2]2)[NH2][C@H](C[NH2]3)C.O.O
Title of publication	Vanadoantimonates: from discrete clusters to high dimensional aggregates
Authors of publication	Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	27
Pages of publication	5130
a	29.05 ± 0.006 Å
b	15.812 ± 0.003 Å
c	21.821 ± 0.004 Å
α	90°
β	128.43 ± 0.03°
γ	90°
Cell volume	7852 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0533
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
185228 (current)	2016-08-07	cif/ Updating files of 7225235, 7225236, 7225237, 7225238, 7225239 Original log message: Adding full bibliography for 7225235--7225239.cif.	7225239.cif
182955	2016-05-14	cif/ Adding structures of 7225235, 7225236, 7225237, 7225238, 7225239 via cif-deposit CGI script.	7225239.cif