Crystallography Open Database

Information card for entry 4518988

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Coordinates	4518988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H45 Fe N O P2 S
Calculated formula	C24 H45 Fe N O P2 S
Title of publication	Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst
Authors of publication	Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	16
Pages of publication	10614 - 10624
a	19.181 ± 0.0006 Å
b	12.4038 ± 0.0004 Å
c	22.3606 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5320 ± 0.3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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