Crystallography Open Database

Information card for entry 1575013

Preview

Coordinates	1575013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H74 Cl4 Mn2 O7 P6
Calculated formula	C78 H74 Cl4 Mn2 O7 P6
Title of publication	Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material
Authors of publication	Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	20
Pages of publication	8979 - 8997
a	11.2956 ± 0.0008 Å
b	26.7171 ± 0.0018 Å
c	25.3047 ± 0.0017 Å
α	90°
β	100.865 ± 0.002°
γ	90°
Cell volume	7499.7 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300329 (current)	2025-07-04	cif/ Adding structures of 1575012, 1575013, 1575014, 1575015, 1575016, 1575017, 1575018, 1575019, 1575020 via cif-deposit CGI script.	1575013.cif