Crystallography Open Database

Information card for entry 7715472

Preview

Coordinates	7715472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C388 H260 Cl48 Fe8 I12 N40
Calculated formula	C388 H260 Cl48 Fe8 I12 N40
Title of publication	Effect of porphyrin ligands on the catalytic CH<sub>4</sub> oxidation activity of monocationic μ-nitrido-bridged iron porphyrinoid dimers by using H<sub>2</sub>O<sub>2</sub> as an oxidant.
Authors of publication	Yamada, Yasuyuki; Miwa, Yusuke; Toyoda, Yuka; Uno, Yoshiki; Phung, Quan Manh; Tanaka, Kentaro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	15
Pages of publication	6556 - 6567
a	20.2412 ± 0.0006 Å
b	15.9489 ± 0.0005 Å
c	27.7869 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8970.3 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0422
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	1.2997
Diffraction radiation wavelength	0.4129 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291653 (current)	2024-05-05	cif/ Updating files of 7715472, 7715473 Original log message: Adding full bibliography for 7715472--7715473.cif.	7715472.cif
290539	2024-03-20	cif/ Adding structures of 7715472, 7715473 via cif-deposit CGI script.	7715472.cif