Crystallography Open Database

Information card for entry 7719044

7719043 << 7719044 >> 7719045

Preview

Coordinates	7719044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H34 Fe2 N4 Ni
Calculated formula	C50 H34 Fe2 N4 Ni
Title of publication	Ferrocene unit substitution in nickel(II) porphyrin(2.1.2.1) induces an extremely low oxygen evolution reaction overpotential.
Authors of publication	Jiang, Tao; Hu, Yiping; Liang, Sihan; Qiu, Fengxian; Huang, Hongliang; Zhou, Mingbo; Xue, Songlin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	21
Pages of publication	8580 - 8585
a	11.5014 ± 0.0003 Å
b	25.4039 ± 0.0006 Å
c	13.9123 ± 0.0004 Å
α	90°
β	105.602 ± 0.003°
γ	90°
Cell volume	3915.12 ± 0.19 Å³
Cell temperature	99.98 ± 0.13 K
Ambient diffraction temperature	99.98 ± 0.13 K
Number of distinct elements	5
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	0.0844
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300368 (current)	2025-07-05	cif/ Adding structures of 7719044 via cif-deposit CGI script.	7719044.cif