Crystallography Open Database

Information card for entry 7057527

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Coordinates	7057527.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetragonal
Formula	C44 H28 Cu N4
Calculated formula	C44 H28 Cu N4
Title of publication	Tuning the crystal structures of metal-tetraphenylporphines via a magnetic field
Authors of publication	Chen, Chen; He, Xiao-Tong; Hong, Dan-Li; Wang, Jing-Wen; Luo, Yang-Hui; Sun, Bai-Wang
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	15
Pages of publication	12570
a	15.0099 ± 0.0002 Å
b	15.0099 ± 0.0002 Å
c	13.6593 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3077.4 ± 0.13 Å³
Cell temperature	295 ± 0.1 K
Ambient diffraction temperature	295 ± 0.1 K
Number of distinct elements	4
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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