Crystallography Open Database

Information card for entry 1517128

Preview

Coordinates	1517128.cif

Structure parameters

Formula	C10 H10 Br2 V
Calculated formula	C10 H10 Br2 V
SMILES	Br[V]12345678(Br)([cH]9[cH]4[cH]7[cH]6[cH]89)[cH]4[cH]2[cH]1[cH]5[cH]34
Title of publication	Vanadocene and niobocene dihalides containing electron-withdrawing substituents in the cyclopentadienyl rings: Synthesis, characterization and cytotoxicity
Authors of publication	Iva Klepalova; Jan Honzicek; Jaromir Vinklarek; Zdenka Padelkova; Lucie Sebestova; Martina Rezacova
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	402
Pages of publication	109 - 115
a	6.888 ± 0.0003 Å
b	12.1511 ± 0.0008 Å
c	12.551 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1050.48 ± 0.1 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517128.cif
120395	2014-07-15	cif/ Adding structures of 1517128 via cif-deposit CGI script.	1517128.cif