Crystallography Open Database

Information card for entry 4112022

4112021 << 4112022 >> 4112023

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Coordinates	4112022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H54 Co N4 O6
Calculated formula	C53 H54 Co N4 O6
Title of publication	Design and Construction of a 2D Metal Organic Framework with Multiple Cavities: A Nonregular Net with a Paracyclophane that Codes for Multiply Fused Nodes
Authors of publication	Giannis S. Papaefstathiou; Tomislav Friščić; Leonard R. MacGillivray
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	14160 - 14161
a	12.3147 ± 0.0012 Å
b	13.5887 ± 0.0014 Å
c	13.6431 ± 0.0014 Å
α	95.234 ± 0.005°
β	94.864 ± 0.005°
γ	99.746 ± 0.005°
Cell volume	2229 ± 0.4 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 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	0.1959
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.1762
Weighted residual factors for all reflections included in the refinement	0.2091
Goodness-of-fit parameter for all reflections included in the refinement	0.944
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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