Crystallography Open Database

Information card for entry 7112428

Preview

Coordinates	7112428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36.5 Cr N2 O6.25
Calculated formula	C38 H36.5 Cr N2 O6.25
Title of publication	Structure and photoreactivity of stable zwitterionic group 6 metal allenyls.
Authors of publication	Santiago, Alicia; Gómez-Gallego, Mar; de Arellano, Carmen Ramírez; Sierra, Miguel A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	11
Pages of publication	1112 - 1114
a	11.6599 ± 0.0011 Å
b	16.1539 ± 0.0014 Å
c	19.2369 ± 0.0018 Å
α	86.011 ± 0.007°
β	88.184 ± 0.008°
γ	85.019 ± 0.007°
Cell volume	3599.7 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2054
Residual factor for significantly intense reflections	0.101
Weighted residual factors for significantly intense reflections	0.2218
Weighted residual factors for all reflections included in the refinement	0.285
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7108817
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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