Crystallography Open Database

Information card for entry 1551990

1551989 << 1551990 >> 1551991

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Coordinates	1551990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H58 Cr2 N4 O4
Calculated formula	C50 H58 Cr2 N4 O4
SMILES	c12cccc(c3c(cccc3C)C)[n]1[Cr]13(=O)(O[Cr]43([n]3c(cccc3c3c(cccc3C)C)N4c3c(cccc3C(C)C)C(C)C)(=O)O1)N2c1c(cccc1C(C)C)C(C)C
Title of publication	Carboalumination of a chromium-chromium quintuple bond
Authors of publication	Awal Noor; Germund Glatz; Robert Muller; Martin Kaupp; Serhiy Demeshko; Rhett Kempe
Journal of publication	Nature Chemistry
Year of publication	2009
Journal volume	1
Pages of publication	322 - 325
a	12.613 ± 0.001 Å
b	14.667 ± 0.0012 Å
c	13.672 ± 0.0012 Å
α	90°
β	116.302 ± 0.006°
γ	90°
Cell volume	2267.4 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
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	0.0797
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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