Crystallography Open Database

Information card for entry 4511204

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Coordinates	4511204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H28 I5 Mo N4 O3
Calculated formula	C51 H28 I5 Mo N4 O3
Title of publication	Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2
Authors of publication	Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	7
Pages of publication	3557
a	37.5438 ± 0.0014 Å
b	16.2519 ± 0.0005 Å
c	16.3223 ± 0.0004 Å
α	90°
β	104.076 ± 0.002°
γ	90°
Cell volume	9660.1 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1082
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.2154
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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