Crystallography Open Database

Information card for entry 7054288

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Coordinates	7054288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 N4 P2 S4 Zn
Calculated formula	C36 H40 N4 P2 S4 Zn
Title of publication	N-(Chalcogen)phosphorylated (chalcogen)ureas of zinc and cadmium(ii): SSPs for group 12‒16 thin films
Authors of publication	Rojas-Montoya, Iván D.; Santana-Silva, Alicia; García-Montalvo, Verónica; Muñoz-Hernández, Miguel-Ángel; Rivera, Margarita
Journal of publication	New J. Chem.
Year of publication	2014
Journal volume	38
Journal issue	10
Pages of publication	4702
a	10.5894 ± 0.0014 Å
b	13.785 ± 0.0019 Å
c	16.051 ± 0.002 Å
α	64.633 ± 0.002°
β	73.929 ± 0.002°
γ	68.548 ± 0.002°
Cell volume	1950.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0614
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	0.841
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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