Crystallography Open Database

Information card for entry 7227354

Preview

Coordinates	7227354.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-Nitro-12,13-bis(4-formylphenyl)-5,10,15,20-tetraphenylporphyrin nickel(II) complex
Chemical name	2-Nitro-12,13-bis(4-formylphenyl)-5,10,15,20-tetraphenylporphyrinatonickel(II)
Formula	C233 H141 Cl3 N20 Ni4 O16
Calculated formula	C233 H141 Cl3 N20 Ni4 O16
Title of publication	An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors.
Authors of publication	Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2017
Journal volume	19
Journal issue	6
Pages of publication	4530 - 4540
a	13.236 ± 0.003 Å
b	16.471 ± 0.003 Å
c	24.435 ± 0.005 Å
α	90.79 ± 0.03°
β	103.49 ± 0.03°
γ	96.01 ± 0.03°
Cell volume	5148 ± 2 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.17
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1995
Weighted residual factors for all reflections included in the refinement	0.2566
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
193914 (current)	2017-03-05	cif/ Updating files of 7227352, 7227353, 7227354 Original log message: Adding full bibliography for 7227352--7227354.cif.	7227354.cif
189875	2017-01-05	cif/ Adding structures of 7227352, 7227353, 7227354 via cif-deposit CGI script.	7227354.cif