Crystallography Open Database

Information card for entry 7135287

Preview

Coordinates	7135287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H45 Fe N O2 Sn
Calculated formula	C37 H45 Fe N O2 Sn
Title of publication	Ammonia reactivity with ferriotetrylenes: a structural snapshot of a highly dynamic process.
Authors of publication	Cao, Phuong Anh; Phung, Alice C.; Schwirzke, Ella L.; Fettinger, James C.; Rusmore, Theo A. H.; Mears, Kristian L.; Vasko, Petra; Power, Philip P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	96
Pages of publication	19092 - 19095
a	10.7163 ± 0.0019 Å
b	14.799 ± 0.003 Å
c	21.254 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3370.7 ± 1.1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
304028 (current)	2025-12-04	cif/ Adding structures of 7135287 via cif-deposit CGI script.	7135287.cif