Crystallography Open Database

Information card for entry 7045672

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Coordinates	7045672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H52 N2 P2 Sn
Calculated formula	C31 H52 N2 P2 Sn
Title of publication	Synthesis and some coordination chemistry of the PSnP pincer-type stannylene Sn(NCH<sub>2</sub>P<sup>t</sup>Bu<sub>2</sub>)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>, attempts to prepare the PSiP analogue, and the effect of the E atom on the molecular structures of E(NCH<sub>2</sub>P<sup>t</sup>Bu<sub>2</sub>)<sub>2</sub>C<sub>6</sub>H<sub>4</sub> (E = C, Si, Ge, Sn).
Authors of publication	Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	13
Pages of publication	4534 - 4544
a	23.5126 ± 0.0003 Å
b	11.8347 ± 0.0001 Å
c	23.8529 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6637.42 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229750 (current)	2019-11-17	cif/ Updating files of 7045672, 7045673 Original log message: Adding full bibliography for 7045672--7045673.cif.	7045672.cif
206511	2018-02-20	cif/ Adding structures of 7045672, 7045673 via cif-deposit CGI script.	7045672.cif