Crystallography Open Database

Information card for entry 7134646

Preview

Coordinates	7134646.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mondal_1_262_2
Formula	C82 H78 Fe2 N2 P6
Calculated formula	C82 H78 Fe2 N2 P6
Title of publication	Historical account of dinitrogen-bridged diiron complex synthesis using a commercial tripodal ligand
Authors of publication	Smythe, Nathan C.; Mondal, Joydeb; Duque, Juan; Feller, Russell K.; Flores, Marco; Gordon, John; Henson, Neil J.; Paz-Pasternak, Moshe; Rein, Francisca N.; Scott, Brian; Taylor, R. Dean; Trovitch, Ryan J.
Journal of publication	Chemical Communications
Year of publication	2025
a	22.7264 ± 0.0005 Å
b	15.2574 ± 0.0003 Å
c	21.1376 ± 0.0004 Å
α	90°
β	108.97 ± 0.001°
γ	90°
Cell volume	6931.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0422
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
299898 (current)	2025-06-01	cif/ Adding structures of 7134646 via cif-deposit CGI script.	7134646.cif