Crystallography Open Database

Information card for entry 7701899

7701898 << 7701899 >> 7701900

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Coordinates	7701899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 F6 N4 O2 P2
Calculated formula	C38 H50 F6 N4 O2 P2
Title of publication	First entry into nonmetal-centred porphycenes: synthesis of a phosphorus(v) complex of octaethylporphycene.
Authors of publication	Abe, Masaaki; Mukotaka, Hiroto; Fujioka, Taro; Okawara, Toru; Umegaki, Kei; Ono, Toshikazu; Hisaeda, Yoshio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	8
Pages of publication	2487 - 2491
a	15.0495 ± 0.0009 Å
b	8.8372 ± 0.0006 Å
c	29.5665 ± 0.0018 Å
α	90°
β	103.469 ± 0.001°
γ	90°
Cell volume	3824.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1194
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
227800 (current)	2019-11-15	cif/ Adding structures of 7701898, 7701899 via cif-deposit CGI script.	7701899.cif