Crystallography Open Database

Information card for entry 2006928

2006927 << 2006928 >> 2006929

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Coordinates	2006928.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(η^5^-Pentamethylcyclopentadienyl)chromium(III) (η^5^- Pentamethylcyclopentadienyl)trichlorochromium(III)
Formula	C30 H45 Cl3 Cr2
Calculated formula	C30 H45 Cl3 Cr2
SMILES	[Cr](Cl)(Cl)(Cl)([c]12C)([c]13C)([c]21C)([c]12C)[c]23C.[Cr]([c]12C)([c]13C)([c]21C)([c]12C)([c]23C)([c]12C)([c]13C)([c]21C)([c]12C)[c]23C
Title of publication	Structure of the Chromium(III) Salt [Cp^^~2~Cr]^+^[Cp^^CrCl~3~]^{-^}
Authors of publication	Aldridge, Simon; Shang, Maoyu; Fehlner, Thomas P.
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	1
Pages of publication	47 - 49
a	12.602 ± 0.002 Å
b	13.0428 ± 0.001 Å
c	19.074 ± 0.003 Å
α	90°
β	94.289 ± 0.007°
γ	90°
Cell volume	3126.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0738
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for all reflections	0.1467
Weighted residual factors for significantly intense reflections	0.129
Goodness-of-fit parameter for all reflections	1.153
Goodness-of-fit parameter for significantly intense reflections	1.167
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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