Crystallography Open Database

Information card for entry 7113665

Preview

Coordinates	7113665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.5 H54.5 Bi N9.5 O9
Calculated formula	C61 H55 Bi N10 O9
Title of publication	Structural characterisation of the first mononuclear bismuth porphyrin
Authors of publication	Boitrel, Bernard; Halime, Zakaria; Michaudet, Lydie; Lachkar, Mohamed; Toupet, Loïc
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	21
Pages of publication	2670 - 2671
a	12.7605 ± 0.0001 Å
b	13.8671 ± 0.0002 Å
c	15.7654 ± 0.0002 Å
α	78.693 ± 0.001°
β	89.696 ± 0.001°
γ	77.096 ± 0.001°
Cell volume	2664.31 ± 0.06 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	293 ± 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	0.0376
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104879
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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