Crystallography Open Database

Information card for entry 7113834

Preview

Coordinates	7113834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 V2
Calculated formula	C18 H16 V2
SMILES	[cH]12[cH]3[cH]4[c]567[c]891[cH]1[cH]%10[cH]5[V]5%11%12%13681%10([cH]1[cH]5[cH]%13[cH]%12[cH]%111)[V]156823479[cH]2[cH]1[cH]5[cH]6[cH]82
Title of publication	[V(η5-C5H5)]2C8H6: a bimetallic pentalene-bridged complex with multiple bonding between the metal atoms
Authors of publication	Jones, Simon C.; O'Hare, Dermot
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	17
Pages of publication	2208 - 2209
a	11.5324 ± 0.0003 Å
b	7.7618 ± 0.0002 Å
c	15.9992 ± 0.0005 Å
α	90°
β	102.465 ± 0.001°
γ	90°
Cell volume	1398.37 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103893
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210393 (current)	2018-09-04	cif/7/ Updating bibliography in entries 7103893, 7113834. Marking entry 7113834 as a duplicate of entry 7103893.	7113834.cif
180252	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38.	7113834.cif
115301	2014-06-02	cif/ Adding structures of 7113834 via cif-deposit CGI script.	7113834.cif