Crystallography Open Database

Information card for entry 7706985

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Coordinates	7706985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H46 Cl Cr F3 N5 O3 S
Calculated formula	C31 H46 Cl Cr F3 N5 O3 S
Title of publication	A unique series of chromium(iii) mono-alkynyl complexes supported by tetraazamacrocycles.
Authors of publication	Schuman, Ashley J.; Robey, Sarah F. T.; Judkins, Eileen C.; Zeller, Matthias; Ren, Tong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	14
Pages of publication	4936 - 4943
a	16.7207 ± 0.0008 Å
b	12.2764 ± 0.0006 Å
c	17.8968 ± 0.0008 Å
α	90°
β	110.33 ± 0.002°
γ	90°
Cell volume	3444.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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