Crystallography Open Database

Information card for entry 7135288

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Coordinates	7135288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H42 Fe O2 Pb
Calculated formula	C37 H42 Fe O2 Pb
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	8.3897 ± 0.0004 Å
b	18.0566 ± 0.0008 Å
c	21.6854 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3285.1 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
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	0.0392
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
304029 (current)	2025-12-04	cif/ Adding structures of 7135288 via cif-deposit CGI script.	7135288.cif