Crystallography Open Database

Information card for entry 4116780

Preview

Coordinates	4116780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H80 Cl10 Co N6 O11.5
Calculated formula	C61 H79 Cl10 Co N6 O11.5
Title of publication	Kinetic and Structural Factors Governing Chiral Recognition in Cobalt(III) Chiroporphyrin-Amino Alcohol Complexes
Authors of publication	Jean-Pierre Simonato; Jacques Pécaut; Jean-Claude Marchon
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	7363 - 7364
a	12.9539 ± 0.0001 Å
b	22.6358 ± 0.0001 Å
c	13.4329 ± 0.0002 Å
α	90°
β	117.43°
γ	90°
Cell volume	3496 ± 0.06 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for all reflections	0.1233
Weighted residual factors for significantly intense reflections	0.1187
Goodness-of-fit parameter for all reflections	1.017
Goodness-of-fit parameter for significantly intense reflections	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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