Crystallography Open Database

Information card for entry 4085275

Preview

Coordinates	4085275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Cl7 N2 Sb
Calculated formula	C30 H36 Cl7 N2 Sb
SMILES	[Sb]12([N](C(C)(C)C)=Cc3c2c(C([NH]1C(C)(C)C)c1ccccc1)ccc3)c1ccccc1.ClC(Cl)Cl.[Cl-].ClC(Cl)Cl
Title of publication	Reactivity of N,C,N-Chelated Antimony(III) and Bismuth(III) Chlorides with Lithium Reagents: Addition vs Substitution
Authors of publication	Vránová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	2
Pages of publication	534
a	12.3751 ± 0.001 Å
b	17.897 ± 0.0008 Å
c	19.572 ± 0.0012 Å
α	90°
β	127.755 ± 0.006°
γ	90°
Cell volume	3427.2 ± 0.5 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
178741 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/52.	4085275.cif
130768	2015-02-04	cif/ Updating files of 4085272, 4085273, 4085274, 4085275, 4085276, 4085277, 4085278 Original log message: Adding full bibliography for 4085272--4085278.cif.	4085275.cif
129943	2015-01-17	cif/ Adding structures of 4085272, 4085273, 4085274, 4085275, 4085276, 4085277, 4085278 via cif-deposit CGI script.	4085275.cif