Crystallography Open Database

Information card for entry 7218176

Preview

Coordinates	7218176.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[N-(4-pyridinyle)diphenylephosphinic amide-kappa-N chlorotriphenyltin(IV)]. N-(4-pyridinyle)diphenylephosphinic amide
Formula	C52 H45 Cl N4 O2 P2 Sn
Calculated formula	C52 H45 Cl N4 O2 P2 Sn
SMILES	[Sn](Cl)([n]1ccc(NP(=O)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1.P(=O)(Nc1ccncc1)(c1ccccc1)c1ccccc1
Title of publication	Steric and electronic control over the structural diversity of N-(n-pyridinyl) diphenylphosphinic amides (n = 2 and 4) as difunctional ligands in triphenyltin(iv) adducts
Authors of publication	Gholivand, K.; Gholami, A.; Tizhoush, S. K.; Schenk, K. J.; Fadaei, F.; Bahrami, A.
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	84
Pages of publication	44509
a	9.9181 ± 0.0006 Å
b	14.7686 ± 0.0009 Å
c	16.9564 ± 0.001 Å
α	82.955 ± 0.005°
β	81.181 ± 0.005°
γ	74.541 ± 0.005°
Cell volume	2356.8 ± 0.3 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1557
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
180512 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/81.	7218176.cif
124050	2014-09-20	cif/ Adding structures of 7218175, 7218176 via cif-deposit CGI script.	7218176.cif