Crystallography Open Database

Information card for entry 7230986

Preview

Coordinates	7230986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 N6 O16 Zn
Calculated formula	C40 H32 N6 O16 Zn
Title of publication	Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study
Authors of publication	Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	29
Pages of publication	4115
a	16.468 ± 0.003 Å
b	9.169 ± 0.0018 Å
c	25.512 ± 0.005 Å
α	90°
β	102.04 ± 0.03°
γ	90°
Cell volume	3767.4 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.1341
Residual factor for significantly intense reflections	0.0901
Weighted residual factors for significantly intense reflections	0.222
Weighted residual factors for all reflections included in the refinement	0.2552
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.7108 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228875 (current)	2019-11-17	cif/ Updating files of 7230978, 7230979, 7230980, 7230981, 7230982, 7230983, 7230984, 7230985, 7230986, 7230987 Original log message: Adding full bibliography for 7230978--7230987.cif.	7230986.cif
208576	2018-06-21	cif/ Adding structures of 7230978, 7230979, 7230980, 7230981, 7230982, 7230983, 7230984, 7230985, 7230986, 7230987 via cif-deposit CGI script.	7230986.cif