Crystallography Open Database

Information card for entry 7112018

7112017 << 7112018 >> 7112019

Preview

Coordinates	7112018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H78 N2 Sn2
Calculated formula	C84 H78 N2 Sn2
Title of publication	A singly bonded amido-distannyne: H2 activation and isocyanide coordination
Authors of publication	Terrance J. Hadlington; Cameron Jones
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2321
a	10.8594 ± 0.0007 Å
b	12.38 ± 0.0007 Å
c	12.8382 ± 0.0007 Å
α	103.735 ± 0.003°
β	101.423 ± 0.003°
γ	94.545 ± 0.003°
Cell volume	1628.88 ± 0.17 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112018.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112018.cif
103343	2014-02-28	cif/ Adding structures of 7112016, 7112017, 7112018, 7112019, 7112020 via cif-deposit CGI script.	7112018.cif