Crystallography Open Database

Information card for entry 7057841

Preview

Coordinates	7057841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Br0.75 Cl5.25 Cr2 N4 O0
Calculated formula	C18 H24 Br0.746 Cl5.254 Cr2 N4
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	7.7436 ± 0.001 Å
b	7.0456 ± 0.0009 Å
c	11.7412 ± 0.0015 Å
α	90°
β	92.74 ± 0.004°
γ	90°
Cell volume	639.85 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0974
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.191
Weighted residual factors for all reflections included in the refinement	0.2033
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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