Crystallography Open Database

Information card for entry 7707846

Preview

Coordinates	7707846.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Co(5tpybNOH)2](BPh4)2
Formula	C97 H104 B2 Co N10 O5
Calculated formula	C97 H104 B2 Co N10 O5
Title of publication	Spin transition triggered by desorption of crystal solvents for a two-dimensional cobalt(ii) complex with hydrogen bonding.
Authors of publication	Kanetomo, Takuya; Inokuma, Kiwamu; Naoi, Yuya; Enomoto, Masaya
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	32
Pages of publication	11243 - 11248
a	23.3784 ± 0.0004 Å
b	19.8247 ± 0.0003 Å
c	22.6637 ± 0.0004 Å
α	90°
β	90.025 ± 0.002°
γ	90°
Cell volume	10503.9 ± 0.3 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 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	0.0637
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268738 (current)	2021-09-06	cif/ Updating files of 7707846 Original log message: Adding full bibliography for 7707846.cif.	7707846.cif
267611	2021-07-17	cif/ Adding structures of 7707846 via cif-deposit CGI script.	7707846.cif