Crystallography Open Database

Information card for entry 4310389

Preview

Coordinates	4310389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H58 B Co2 N12 O23 P4 V3
Calculated formula	C12 H50 B Co2 N12 O27 P4 V3
SMILES	[V]1234(O[V]567(O[V]89([O]27[B](OP(=O)(O3)O5)(OP(=O)(O6)O8)OP(=O)(O4)O9)(O1)=O)=O)=O.P(=O)(O)(O)[O-].[Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.O.O.O.O
Title of publication	Synthesis and Structural Characterization of 0D Vanadium Borophosphate [Co(en)3]2[V3P3BO19][H2PO4].4H2O and 1D Vanadium Oxides [Co(en)3][V3O9].H2O and [Co(dien)2][V3O9].H2O Templated by Cobalt Complexes: Cooperative Organization of the Complexes and the Inorganic Networks
Authors of publication	Yu Wang; Jihong Yu; Qinhe Pan; Yu Du; Yongchun Zou; Ruren Xu
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	559 - 565
a	32.8492 ± 0.0014 Å
b	11.9601 ± 0.0003 Å
c	22.6001 ± 0.0007 Å
α	90°
β	108.963 ± 0.0008°
γ	90°
Cell volume	8397.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0937
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1429
Weighted residual factors for all reflections included in the refinement	0.1668
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
192782 (current)	2017-03-02	cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items.	4310389.cif
179142	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/03.	4310389.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310389.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310389.cif
1877	2010-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4310389 via cif-deposit CGI script.	4310389.cif