Crystallography Open Database

Information card for entry 7064347

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Coordinates	7064347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Br2 Cl2 N6 Ni O3
Calculated formula	C36 H30 Br2 Cl2 N6 Ni O3
Title of publication	Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one
Authors of publication	Rayasingh, Amlan Ranjan; Manivannan, Vadivelu
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	16
Pages of publication	6746 - 6760
a	11.2189 ± 0.0017 Å
b	12.5312 ± 0.0019 Å
c	14.612 ± 0.002 Å
α	94.067 ± 0.005°
β	109.34 ± 0.004°
γ	102.568 ± 0.004°
Cell volume	1868.9 ± 0.5 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1932
Residual factor for significantly intense reflections	0.0999
Weighted residual factors for significantly intense reflections	0.269
Weighted residual factors for all reflections included in the refinement	0.3506
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
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
306464 (current)	2026-06-05	cif/ Updating files of 7064343, 7064344, 7064345, 7064346, 7064347, 7064348, 7064349, 7064350, 7064351, 7064352, 7064353, 7064354 Original log message: Adding full bibliography for 7064343--7064354.cif.	7064347.cif
305181	2026-03-26	cif/ Adding structures of 7064343, 7064344, 7064345, 7064346, 7064347, 7064348, 7064349, 7064350, 7064351, 7064352, 7064353, 7064354 via cif-deposit CGI script.	7064347.cif