Crystallography Open Database

Information card for entry 4347761

Preview

Coordinates	4347761.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2(hex)
Formula	C28 H30 N2 P2 Sn
Calculated formula	C28 H30 N2 P2 Sn
SMILES	N(c1c(P(c2ccccc2)[Sn]P(c2c(N(C)C)cccc2)c2ccccc2)cccc1)(C)C
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	14.8396 ± 0.0003 Å
b	14.8396 ± 0.0003 Å
c	11.7863 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2595.51 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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.	4347761.cif