Crystallography Open Database

Information card for entry 4117089

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Coordinates	4117089.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Zn(T-m-NPCP)(EtOH).1.02CH2Cl2
Formula	C71.03 H58.06 Cl2.05 N8 O17 Zn
Calculated formula	C71.024 H56 Cl2.048 N8 O17 Zn
Title of publication	A Pyridine-Sensitive Venus Flytrap Porphyrin
Authors of publication	Marinella Mazzanti; Jean-Claude Marchon; Maoyu Shang; W. Robert Scheidt; Songling Jia; John A. Shelnutt
Journal of publication	Journal of the American Chemical Society
Year of publication	1997
Journal volume	119
Pages of publication	12400 - 12401
a	20.687 ± 0.001 Å
b	13.872 ± 0.001 Å
c	12.332 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3538.9 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for all reflections	0.2004
Weighted residual factors for significantly intense reflections	0.1866
Goodness-of-fit parameter for all reflections	1.073
Goodness-of-fit parameter for significantly intense reflections	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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