Crystallography Open Database

Information card for entry 7247996

Preview

Coordinates	7247996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H68 Cl8 Mn2 N7 O15 Tb
Calculated formula	C62 H68 Cl8 Mn2 N7 O15 Tb
Title of publication	The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands
Authors of publication	Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	7
Pages of publication	1004 - 1014
a	23.9154 ± 0.0018 Å
b	17.9234 ± 0.0014 Å
c	16.4008 ± 0.0011 Å
α	90°
β	98.864 ± 0.002°
γ	90°
Cell volume	6946.2 ± 0.9 Å³
Cell temperature	188 K
Ambient diffraction temperature	188 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290151 (current)	2024-03-04	cif/ Updating files of 7247989, 7247990, 7247991, 7247992, 7247993, 7247994, 7247995, 7247996, 7247997, 7247998 Original log message: Adding full bibliography for 7247989--7247998.cif.	7247996.cif
289024	2024-01-11	cif/ Adding structures of 7247989, 7247990, 7247991, 7247992, 7247993, 7247994, 7247995, 7247996, 7247997, 7247998 via cif-deposit CGI script.	7247996.cif