Crystallography Open Database

Information card for entry 4347760

Preview

Coordinates	4347760.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2(thf)
Formula	C28 H30 N2 P2 Sn
Calculated formula	C28 H30 N2 P2 Sn
SMILES	[Sn](P(c1c(N(C)C)cccc1)c1ccccc1)P(c1c(N(C)C)cccc1)c1ccccc1
Title of publication	Intermolecular (119)Sn,(31)P Through-Space Spin-Spin Coupling in a Solid Bivalent Tin Phosphido Complex.
Authors of publication	Arras, Janet; Eichele, Klaus; Maryasin, Boris; Schubert, Hartmut; Ochsenfeld, Christian; Wesemann, Lars
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	9
Pages of publication	4669 - 4675
a	21.082 ± 0.002 Å
b	21.082 ± 0.002 Å
c	11.5882 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	5150.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0268
Weighted residual factors for all reflections included in the refinement	0.0279
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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
232489 (current)	2019-11-23	cif/ Adding structures of 4347760, 4347761 via cif-deposit CGI script.	4347760.cif