Crystallography Open Database

Information card for entry 7711627

Preview

Coordinates	7711627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H74 B4 F16 Fe4 N26
Calculated formula	C100 H74 B4 F16 Fe4 N26
Title of publication	Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.
Authors of publication	Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	30.967 ± 0.006 Å
b	12.821 ± 0.003 Å
c	27.261 ± 0.005 Å
α	90°
β	121.33 ± 0.03°
γ	90°
Cell volume	9245 ± 4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.123
Residual factor for significantly intense reflections	0.1015
Weighted residual factors for significantly intense reflections	0.2315
Weighted residual factors for all reflections included in the refinement	0.2439
Goodness-of-fit parameter for all reflections included in the refinement	1.328
Diffraction radiation wavelength	0.82656 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
278889 (current)	2022-11-01	cif/ Adding structures of 7711626, 7711627, 7711628, 7711629, 7711630, 7711631, 7711632, 7711633, 7711634, 7711635, 7711636, 7711637, 7711638, 7711639, 7711640, 7711641, 7711642, 7711643, 7711644, 7711645, 7711646 via cif-deposit CGI script.	7711627.cif