Crystallography Open Database

Information card for entry 7250666

Preview

Coordinates	7250666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H51 Br2 Cl15 N4 O10
Calculated formula	C59 H51 Br2 Cl15 N4 O10
Title of publication	Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange
Authors of publication	Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	29
Pages of publication	5003 - 5009
a	9.667 ± 0.0008 Å
b	22.9197 ± 0.0019 Å
c	15.4712 ± 0.0013 Å
α	90°
β	98.877 ± 0.003°
γ	90°
Cell volume	3386.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1451
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301558 (current)	2025-08-06	cif/ Updating files of 7250664, 7250665, 7250666, 7250667, 7250668, 7250669 Original log message: Adding full bibliography for 7250664--7250669.cif.	7250666.cif
301217	2025-07-11	cif/ Adding structures of 7250664, 7250665, 7250666, 7250667, 7250668, 7250669 via cif-deposit CGI script.	7250666.cif