Crystallography Open Database

Information card for entry 7031852

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Structure parameters

Formula	C39 H59 N O7 V
Calculated formula	C39 H59 N O7 V
Title of publication	Vanadium complexes with multidentate amine bisphenols.
Authors of publication	Hänninen, M M; Peuronen, A.; Damlin, P.; Tyystjärvi, V; Kivelä, H; Lehtonen, A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	37
Pages of publication	14022 - 14028
a	18.2255 ± 0.0006 Å
b	13.2449 ± 0.0009 Å
c	16.4934 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3981.4 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7031852.cif
180024	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/18.	7031852.cif
123490	2014-09-08	cif/ Updating files of 7031852, 7031853, 7031854, 7031855 Original log message: Adding full bibliography for 7031852--7031855.cif.	7031852.cif
120988	2014-07-31	cif/ Adding structures of 7031852, 7031853, 7031854, 7031855 via cif-deposit CGI script.	7031852.cif