Crystallography Open Database

Information card for entry 7032160

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Coordinates	7032160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H27 F10 Mn O3 P4
Calculated formula	C39 H27 F10 Mn O3 P4
Title of publication	Manganese(i) templates for the construction of benzannulated triphosphamacrocycles.
Authors of publication	Edwards, Peter G.; Mahon, Mary F.; Newman, Paul D.; Reixach, Elisenda; Zhang, Wenjian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	41
Pages of publication	15646 - 15655
a	18.237 ± 0.0002 Å
b	21.34 ± 0.0003 Å
c	19.545 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7606.48 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C c m b
Hall space group symbol	-C 2ac 2ac
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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