Crystallography Open Database

Information card for entry 1520336

1520335 << 1520336 >> 1520337

Preview

Coordinates	1520336.cif
External links	PubChem

Structure parameters

Formula	C36 H81 Dy N3 O12 P3
Calculated formula	C36 H81 Dy N3 O12 P3
SMILES	[Dy]123(ON(=[O]1)=O)([O]=N(=O)O2)([O]=P(CC(C)C)(CC(C)C)CC(C)C)([O]=P(CC(C)C)(CC(C)C)CC(C)C)([O]=P(CC(C)C)(CC(C)C)CC(C)C)[O]=N(=O)O3
Title of publication	C36H81DyN3O12P3
Authors of publication	Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2009
Pages of publication	1242
a	15.3937 ± 0.001 Å
b	15.3937 ± 0.001 Å
c	43.421 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	10289.3 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1082
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.2233
Weighted residual factors for all reflections included in the refinement	0.2577
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520336.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520336.cif
138331	2015-06-05	cif/ Adding structures of 1520336 via cif-deposit CGI script.	1520336.cif