Crystallography Open Database

Information card for entry 7057795

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Coordinates	7057795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H36 Br2 Mn N3 O3 P
Calculated formula	C39 H36 Br2 Mn N3 O3 P
Title of publication	IClick cycloaddition reaction of light-triggered manganese(i) carbonyl complexes
Authors of publication	Mansour, Ahmed M.; Friedrich, Alexandra
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	22
Pages of publication	18418
a	11.095 ± 0.004 Å
b	13.234 ± 0.004 Å
c	14.057 ± 0.007 Å
α	87.477 ± 0.015°
β	88.554 ± 0.019°
γ	87.35 ± 0.02°
Cell volume	2059.2 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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