Crystallography Open Database

Information card for entry 7121418

Preview

Coordinates	7121418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H32 B2 Fe N8 O4
Calculated formula	C23 H24 B2 Fe N8 O4
Title of publication	Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.
Authors of publication	Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	34
Pages of publication	4262 - 4265
a	21.432 ± 0.003 Å
b	21.432 ± 0.003 Å
c	28.249 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	12976 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	120
Hermann-Mauguin space group symbol	I -4 c 2
Hall space group symbol	I -4 -2c
Residual factor for all reflections	0.0948
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1832
Weighted residual factors for all reflections included in the refinement	0.2013
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.65 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228583 (current)	2019-11-17	cif/ Updating files of 7121418, 7121419, 7121420, 7121421, 7121422, 7121423 Original log message: Adding full bibliography for 7121418--7121423.cif.	7121418.cif
207044	2018-03-22	cif/ Adding structures of 7121418, 7121419, 7121420, 7121421, 7121422, 7121423 via cif-deposit CGI script.	7121418.cif