Crystallography Open Database

Information card for entry 7133172

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Coordinates	7133172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116.94 H127.44 Cl8.84 N12
Calculated formula	C117.979 H126.689 Cl8.844 N12
Title of publication	Synthesis and Electronic Properties of Nitrogen-Rich Nanographene
Authors of publication	Heim, Gavin P.; Hirahara, Masanari; Dev, Vidhya; Agapie, Theodor
Journal of publication	Chemical Communications
Year of publication	2024
a	14.354 ± 0.0006 Å
b	18.2341 ± 0.0006 Å
c	23.2636 ± 0.001 Å
α	110.586 ± 0.003°
β	101.322 ± 0.003°
γ	93.081 ± 0.003°
Cell volume	5538.9 ± 0.4 Å³
Cell temperature	175 ± 2 K
Ambient diffraction temperature	175 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.192
Weighted residual factors for all reflections included in the refinement	0.2197
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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