Crystallography Open Database

Information card for entry 4347349

Preview

Coordinates	4347349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H72 N2 Pt Sn
Calculated formula	C47 H72 N2 Pt Sn
SMILES	[PtH]1([Sn](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[CH2]=[CH]1c1ccccc1
Title of publication	Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).
Authors of publication	Koppaka, Anjaneyulu; Captain, Burjor
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	6
Pages of publication	2679 - 2681
a	20.0223 ± 0.0013 Å
b	12.4136 ± 0.0008 Å
c	19.6166 ± 0.0013 Å
α	90°
β	110.883 ± 0.001°
γ	90°
Cell volume	4555.4 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0586
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
232280 (current)	2019-11-23	cif/ Adding structures of 4347345, 4347346, 4347347, 4347348, 4347349, 4347350 via cif-deposit CGI script.	4347349.cif