Crystallography Open Database

Information card for entry 1519165

1519164 << 1519165 >> 1519166

Preview

Coordinates	1519165.cif

Structure parameters

Formula	C26 H38 Cd I4 N6 O4
Calculated formula	C26 H38 Cd I4 N6 O4
SMILES	[Cd](I)(I)([I-])[I-].O=N1=C([N](=O)C(C1(C)C)(C)C)c1cc[n+](C)cc1.O=N1=C([N](=O)C(C1(C)C)(C)C)c1cc[n+](C)cc1
Title of publication	C26H38CdI4N6O4
Authors of publication	Kurmoo, Mohamed; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1996
Pages of publication	759
a	16.249 ± 0.005 Å
b	10.8064 ± 0.001 Å
c	21.254 ± 0.005 Å
α	90°
β	105.93 ± 0.02°
γ	90°
Cell volume	3588.7 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for all reflections	0.0909
Weighted residual factors for significantly intense reflections	0.0644
Goodness-of-fit parameter for all reflections	0.541
Goodness-of-fit parameter for significantly intense reflections	0.705
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
176729 (current)	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.	1519165.cif
135481	2015-05-04	cif/ Adding structures of 1519165 via cif-deposit CGI script.	1519165.cif