Crystallography Open Database

Information card for entry 4084536

Preview

Coordinates	4084536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H53 N14 O Sn2
Calculated formula	C85 H53 N14 O Sn2
Title of publication	Reactions of Grignard Reagents with Tin-Corrole Complexes: Demetalation Strategy and σ-Methyl/Phenyl Complexes
Authors of publication	Sinha, Woormileela; Kar, Sanjib
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	22
Pages of publication	6550
a	12.618 ± 0.002 Å
b	16.968 ± 0.003 Å
c	17.561 ± 0.003 Å
α	76.197 ± 0.007°
β	81.729 ± 0.008°
γ	85.713 ± 0.007°
Cell volume	3610.1 ± 1.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1408
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.2253
Weighted residual factors for all reflections included in the refinement	0.2484
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
178734 (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 4/08/45.	4084536.cif
131444	2015-02-07	cif/ Updating files of 4084536, 4084537 Original log message: Adding full bibliography for 4084536--4084537.cif.	4084536.cif
125641	2014-10-21	cif/ Adding structures of 4084536 via cif-deposit CGI script.	4084536.cif