Crystallography Open Database

Information card for entry 7126453

Preview

Coordinates	7126453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Cu N2 O3
Calculated formula	C14 H10 Cu N2 O3
Title of publication	A polynuclear Cu(ii) complex for real time monitoring of mitochondrial cytochrome C release during cellular apoptosis.
Authors of publication	Khanra, Somnath; Ta, Sabyasachi; Paladhi, Ankush; Ghosh, Milan; Ghosh, Subhasis; Hira, Sumit Kumar; Manna, Partha Partim; Brandão, Paula; Félix, Vítor; Das, Debasis
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	48
Pages of publication	6563 - 6566
a	6.4066 ± 0.0006 Å
b	18.6435 ± 0.0016 Å
c	9.8389 ± 0.001 Å
α	90°
β	96.696 ± 0.003°
γ	90°
Cell volume	1167.16 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1461
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
253812 (current)	2020-07-06	cif/ Updating files of 7126453 Original log message: Adding full bibliography for 7126453.cif.	7126453.cif
251250	2020-04-29	cif/ Adding structures of 7126453 via cif-deposit CGI script.	7126453.cif