Crystallography Open Database

Information card for entry 1543954

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Coordinates	1543954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H38 Co N8 O10 S2
Calculated formula	C36 H38 Co N8 O10 S2
SMILES	[Co]12(O/C(=C3\N(S(=O)(=O)c4c(C3=O)cccc4)C)Nc3[n]1cccc3)(OC(=C\1N(S(=O)(=O)c3c(C1=O)cccc3)C)\Nc1[n]2cccc1)([O]=CN(C)C)[O]=CN(C)C
Title of publication	The piroxicam complex of cobalt(II): Synthesis in two different ionic liquids, structure, DNA- and BSA interaction and molecular modeling
Authors of publication	Farivash Darabi; Hassan Hadadzadeh; Malihe Ebrahimi; Taghi Khayamian; Hadi Amiri Rudbari
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	379 - 389
a	9.9483 ± 0.0003 Å
b	8.0475 ± 0.0003 Å
c	24.5645 ± 0.0007 Å
α	90°
β	98.205 ± 0.002°
γ	90°
Cell volume	1946.48 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1059
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	0.918
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1543954.cif
185957	2016-08-23	cif/ Adding structures of 1543954 via cif-deposit CGI script.	1543954.cif