Crystallography Open Database

Information card for entry 4331531

Preview

Coordinates	4331531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H20 F6 N O2 P V
Calculated formula	C15 H20 F6 N O2 P V
SMILES	[V]123456789([cH]%10[cH]1[cH]2[cH]3[cH]4%10)([cH]1[cH]5[cH]6[cH]7[cH]81)[NH2][C@H](C(=O)O9)C(C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Investigation of Vanadocene(IV) α-Amino Acid Complexes: Synthesis, Structure, and Behavior in Physiological Solutions, Human Plasma, and Blood
Authors of publication	Vinklárek, Jaromír; Paláčková, Hana; Honzíček, Jan; Holubová, Jana; Holčapek, Michal; Císařová, Ivana
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	5
Pages of publication	2156 - 2162
a	6.16 ± 0.0002 Å
b	15.474 ± 0.0004 Å
c	9.722 ± 0.0003 Å
α	90°
β	108.18 ± 0.0015°
γ	90°
Cell volume	880.44 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179418 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15.	4331531.cif
97687	2014-01-29	cif/ Adding structures of 4331531 via cif-deposit CGI script.	4331531.cif