Crystallography Open Database

Information card for entry 1519140

1519139 << 1519140 >> 1519141

Preview

Coordinates	1519140.cif
External links	PubChem

Structure parameters

Formula	C22 H50 N2 P2 Se2 Zn
Calculated formula	C22 H50 N2 P2 Se2 Zn
SMILES	[Zn]12([Se]P(=[N]1C(C)C)(C(C)(C)C)C(C)(C)C)[Se]P(=[N]2C(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	C22H50N2P2Se2Zn
Authors of publication	Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1994
Pages of publication	1195
a	15.815 ± 0.005 Å
b	11.848 ± 0.008 Å
c	16.041 ± 0.005 Å
α	90°
β	90.565 ± 0.018°
γ	90°
Cell volume	3006 ± 2 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519140.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519140.cif
135452	2015-04-30	cif/ Adding structures of 1519140 via cif-deposit CGI script.	1519140.cif