Crystallography Open Database

Information card for entry 7124811

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Coordinates	7124811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 N2 P2 S2 Sn
Calculated formula	C20 H28 N2 P2 S2 Sn
Title of publication	A versatile hard-soft N/S-ligand for metal coordination and cluster formation.
Authors of publication	Benson, Callum G. M.; Plajer, Alex J.; García-Rodríguez, Raúl; Bond, Andrew D.; Singh, Sanjay; Gade, Lutz H.; Wright, Dominic S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	62
Pages of publication	9683 - 9686
a	8.5948 ± 0.0004 Å
b	9.7615 ± 0.0004 Å
c	14.7996 ± 0.0006 Å
α	85.955 ± 0.002°
β	87.786 ± 0.002°
γ	73.175 ± 0.002°
Cell volume	1185.33 ± 0.09 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0214
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.048
Weighted residual factors for all reflections included in the refinement	0.0486
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
234252 (current)	2019-11-23	cif/ Adding structures of 7124810, 7124811, 7124812 via cif-deposit CGI script.	7124811.cif