Crystallography Open Database

Information card for entry 1540405

Preview

Coordinates	1540405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H23 Cu N12 O3.5
Calculated formula	C29 H19 Cu N12 O1.5
Title of publication	Targeted water soluble copper-tetrazolate complexes: interactions with biomolecules and catecholase like activities.
Authors of publication	Saha, Manideepa; Das, Mriganka; Nasani, Rajendar; Choudhuri, Indrani; Yousufuddin, Muhammed; Nayek, Hari Pada; Shaikh, Mobin M.; Pathak, Biswarup; Mukhopadhyay, Suman
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	46
Pages of publication	20154 - 20167
a	11.9248 ± 0.001 Å
b	11.9276 ± 0.0012 Å
c	13.4576 ± 0.0011 Å
α	71.6 ± 0.008°
β	68.381 ± 0.008°
γ	70.668 ± 0.008°
Cell volume	1637.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0909
Weighted residual factors for significantly intense reflections	0.2831
Weighted residual factors for all reflections included in the refinement	0.2987
Goodness-of-fit parameter for all reflections included in the refinement	1.254
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1540405.cif
171112	2015-12-09	cif/ Updating files of 1540404, 1540405 Original log message: Adding full bibliography for 1540404--1540405.cif.	1540405.cif
169702	2015-10-23	cif/ Adding structures of 1540404, 1540405 via cif-deposit CGI script.	1540405.cif