Crystallography Open Database

Information card for entry 4346729

Preview

Coordinates	4346729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H84 Cl3 In2 N3 P6 S2
Calculated formula	C36 H84 Cl3 In2 N3 P6 S2
SMILES	[In]12(Cl)([Cl][In]3(Cl)(SP(=N[P]3(C(C)C)C(C)C)(C(C)C)C(C)C)P(=N[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)SP(=N[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
Title of publication	Rapid, Reversible, Solid-Gas and Solution-Phase Insertion of CO2 into In-P Bonds.
Authors of publication	Dickie, Diane A.; Barker, Madeline T.; Land, Michael A.; Hughes, Kira E.; Clyburne, Jason A. C.; Kemp, Richard A.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	23
Pages of publication	11121 - 11126
a	15.137 ± 0.0006 Å
b	20.4781 ± 0.0009 Å
c	18.4774 ± 0.0009 Å
α	90°
β	111.822 ± 0.003°
γ	90°
Cell volume	5317.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.146
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
231939 (current)	2019-11-23	cif/ Adding structures of 4346727, 4346728, 4346729 via cif-deposit CGI script.	4346729.cif