Crystallography Open Database

Information card for entry 1551988

1551987 << 1551988 >> 1551989

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Coordinates	1551988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H74 Cl2 Cr2 N4 O2
Calculated formula	C58 H74 Cl2 Cr2 N4 O2
SMILES	c12cccc(c3c(cccc3C)C)[n]1[Cr]1(N2c2c(cccc2C(C)C)C(C)C)([O]2CCCC2)[Cl][Cr]2([n]3c(cccc3c3c(cccc3C)C)N2c2c(cccc2C(C)C)C(C)C)([O]2CCCC2)[Cl]1
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	14.503 ± 0.0011 Å
b	8.43 ± 0.0006 Å
c	22.025 ± 0.0013 Å
α	90°
β	96.049 ± 0.006°
γ	90°
Cell volume	2677.8 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216796 (current)	2019-07-08	cif/ Adding structures of 1551988 via cif-deposit CGI script.	1551988.cif