Crystallography Open Database

Information card for entry 7057843

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Coordinates	7057843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 Br0.76 Cl1.24 Cr N2
Calculated formula	C23 H23 Br0.766 Cl1.234 Cr N2
Title of publication	Base-free glucose dehydration catalysed by NHC-stabilised heterohalo cyclopentadienyl Cr(iii) complexes
Authors of publication	Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Conradie, Jeanet; Landman, Marilé
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	23
Pages of publication	19193
a	9.92 ± 0.004 Å
b	14.406 ± 0.006 Å
c	14.898 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2129 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0616
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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